| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 23rd, 2009 | 20 | Yes |
Popular Name: [4-[(3R,5R)-3,5-dimethyl-1-piperidyl]-2-(trifluoromethyl)phenyl]methanamine [4-[(3R,5R)-3,5-dimethyl-1-piper…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 3.67 | 7.2 | -46.07 | 3 | 2 | 1 | 31 | 287.349 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.67 | 6.96 | -3.66 | 2 | 2 | 0 | 29 | 286.341 | 3 | ↓ |
Popular Name: (3R)-3-methyl-1-[4-methyl-3-(trifluoromethyl)phenyl]piperidin-4-one (3R)-3-methyl-1-[4-methyl-3-(tri…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 3.36 | 8.15 | -6.68 | 0 | 2 | 0 | 20 | 271.282 | 2 | ↓ |
Popular Name: (3S)-3-methyl-1-[4-methyl-3-(trifluoromethyl)phenyl]piperidin-4-one (3S)-3-methyl-1-[4-methyl-3-(tri…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 3.36 | 8.17 | -6.68 | 0 | 2 | 0 | 20 | 271.282 | 2 | ↓ |
Popular Name: (3R,4S)-3-methyl-1-[4-methyl-3-(trifluoromethyl)phenyl]piperidin-4-amine (3R,4S)-3-methyl-1-[4-methyl-3-(…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 3.05 | 6.47 | -47.64 | 3 | 2 | 1 | 31 | 273.322 | 2 | ↓ |
Popular Name: (3R,4R)-3-methyl-1-[4-methyl-3-(trifluoromethyl)phenyl]piperidin-4-amine (3R,4R)-3-methyl-1-[4-methyl-3-(…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 3.05 | 6.26 | -46.48 | 3 | 2 | 1 | 31 | 273.322 | 2 | ↓ |
